Compound Detail
CHEMBL4160527
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)[O-])cc4O3)c(F)c2)c(F)cn1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL4160527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLIWVYFLNVKIHM-GFTAQQBESA-M |
| Parent Compound | CHEMBL4301726 |
| Active Moiety | CHEMBL4301726 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
6.32
ALogP
4
HBA
1
HBD
68.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 8.92 | 7.6133 | 1.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 1.2 | nM | 8.92 | Agonist activity at recombinant human GPR40 expressed in HEK293 cells assessed a... | 30034601 |
| Free fatty acid receptor 1 | EC50 | = | 36.0 | nM | 7.44 | Agonist activity at recombinant human GPR40 expressed in HEK293 cells assessed a... | 30034601 |
| Free fatty acid receptor 1 | EC50 | = | 328.0 | nM | 6.48 | Agonist activity at recombinant human GPR40 expressed in HEK293 cells assessed a... | 30034601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30034601 | 10.1021/acsmedchemlett.8b00149 | Free fatty acid receptor 1 | 8 |
| 30034601 | 10.1021/acsmedchemlett.8b00149 | Rattus norvegicus | 2 |
| 30034601 | 10.1021/acsmedchemlett.8b00149 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine